Chemical Properties of Glutaric acid, 1-(2,6-difluorophenyl)ethyl propyl ester

InChI

InChI=1S/C16H20F2O4/c1-3-10-21-14(19)8-5-9-15(20)22-11(2)16-12(17)6-4-7-13(16)18/h4,6-7,11H,3,5,8-10H2,1-2H3

InChI Key

NNFXMLDPUUKUDO-UHFFFAOYSA-N

Formula

C16H20F2O4

SMILES

CCCOC(=O)CCCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

314.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7779		Relay (1.0) Calculated Property
ΔfG°	-682.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1138.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.67	kJ/mol	Joback Calculated Property
ΔvapH°	86.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	3.692		Crippen Calculated Property
McVol	230.960	ml/mol	McGowan Calculated Property
Pc	1675.53	kPa	Joback Calculated Property
Inp	[1977.00; 1977.00]
Inp	1977.00		NIST
Inp	1977.00		NIST
Tboil	581.37	K	Relay (1.0) Calculated Property
Tc	766.15	K	Relay (1.0) Calculated Property
Tfus	294.00	K	Relay (1.0) Calculated Property
Vc	0.858	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.63; 735.32]	J/mol×K	[752.80; 945.68]
Cp,gas	663.63	J/mol×K	752.80	Joback Calculated Property
Cp,gas	677.78	J/mol×K	784.95	Joback Calculated Property
Cp,gas	691.04	J/mol×K	817.09	Joback Calculated Property
Cp,gas	703.41	J/mol×K	849.24	Joback Calculated Property
Cp,gas	714.91	J/mol×K	881.39	Joback Calculated Property
Cp,gas	725.55	J/mol×K	913.53	Joback Calculated Property
Cp,gas	735.32	J/mol×K	945.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(2,6-difluorophenyl)ethyl propyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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